tert-butyl 4-[4-[(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]-4-oxidanylidene-butyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]-4-oxidanylidene-butyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]-4-oxo-butyl]piperidine-1-carboxylate CAS Name: 4-[4-[(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]-4-oxobutyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]-4-oxobutyl]piperidine-1-carboxylate Traditional Name: 4-[4-keto-4-[(2-mesyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]butyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C24H37N3O5S MolecularWeight: 479.63268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CCCC(=O)NC2=CC3=C(CN(CC3)S(=O)(=O)C)C=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CCCC(=O)NC2=CC3=C(CN(CC3)S(=O)(=O)C)C=C2

InChI

InChI=1S/C24H37N3O5S/c1-24(2,3)32-23(29)26-13-10-18(11-14-26)6-5-7-22(28)25-21-9-8-20-17-27(33(4,30)31)15-12-19(20)16-21/h8-9,16,18H,5-7,10-15,17H2,1-4H3,(H,25,28)